Iron in PDB 6bld: Mycobacterium Marinum Cytochrome P450 CYP268A2 in Complex with Pseudoionone

The structure of Mycobacterium Marinum Cytochrome P450 CYP268A2 in Complex with Pseudoionone, PDB code: 6bld was solved by S.A.Child, J.B.Bruning, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.00 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	154.759, 44.726, 57.727, 90.00, 100.84, 90.00
R / Rfree (%)	20 / 24.8

The binding sites of Iron atom in the Mycobacterium Marinum Cytochrome P450 CYP268A2 in Complex with Pseudoionone (pdb code 6bld). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Mycobacterium Marinum Cytochrome P450 CYP268A2 in Complex with Pseudoionone, PDB code: 6bld:

Iron binding site 1 out of 1 in the Mycobacterium Marinum Cytochrome P450 CYP268A2 in Complex with Pseudoionone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mycobacterium Marinum Cytochrome P450 CYP268A2 in Complex with Pseudoionone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:17.1 occ:1.00 FE A:HEM501 0.0 17.1 1.0 NC A:HEM501 2.0 17.7 1.0 NA A:HEM501 2.0 17.1 1.0 ND A:HEM501 2.0 16.4 1.0 NB A:HEM501 2.1 18.4 1.0 SG A:CYS372 2.7 17.4 1.0 C4C A:HEM501 3.0 16.8 1.0 C1C A:HEM501 3.1 17.6 1.0 C1D A:HEM501 3.1 15.6 1.0 C1A A:HEM501 3.1 16.0 1.0 C4D A:HEM501 3.1 15.1 1.0 C4A A:HEM501 3.1 17.0 1.0 C1B A:HEM501 3.1 18.1 1.0 C4B A:HEM501 3.1 18.2 1.0 CHD A:HEM501 3.4 16.2 1.0 CHA A:HEM501 3.4 15.3 1.0 CHC A:HEM501 3.4 18.1 1.0 CHB A:HEM501 3.4 17.9 1.0 CB A:CYS372 3.5 17.3 1.0 CA A:CYS372 4.0 16.9 1.0 C3C A:HEM501 4.2 17.5 1.0 C2C A:HEM501 4.3 17.8 1.0 C2D A:HEM501 4.3 14.4 1.0 C2A A:HEM501 4.3 15.9 1.0 C2B A:HEM501 4.3 18.8 1.0 C3D A:HEM501 4.3 14.2 1.0 C3A A:HEM501 4.3 16.8 1.0 C01 A:DXJ502 4.3 13.9 1.0 C3B A:HEM501 4.3 19.1 1.0 N A:LEU373 4.4 16.9 1.0 CB A:ALA260 4.5 16.4 1.0 C A:CYS372 4.5 17.4 1.0 N A:GLY374 4.5 16.1 1.0 O A:ALA260 4.8 17.5 1.0

S.A.Child, E.F.Naumann, J.B.Bruning, S.G.Bell. Structural and Functional Characterisation of the Cytochrome P450 Enzyme CYP268A2 From Biochem. J. V. 475 705 2018.
ISSN: ESSN 1470-8728
PubMed: 29343612
DOI: 10.1042/BCJ20170946